REMARK  Name = BDB013969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.793   2.054  -0.799  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.776   1.479   0.212  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.781   2.024   1.333  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.016   0.362  -0.026  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.119  -0.359  -1.265  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.116   0.275  -2.518  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.327  -0.480  -3.693  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.523  -1.856  -3.640  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -0.495  -2.497  -2.414  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.153   1.741  -2.676  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.294  -1.755  -1.247  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.603   1.970  -2.303  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.725   0.522  -0.457  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.151   1.775  -0.329  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.436   2.304   0.485  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.217  -0.383  -1.112  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.062   0.377   0.306  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.004  -0.522  -0.495  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.147   0.631   2.574  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.859  -0.228   1.641  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.766  -0.472   2.037  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -0.757  -0.164   1.151  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.242  -0.479   0.940  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1       -3.137   0.508   0.401  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -4.468   0.134   0.095  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -5.362   1.060  -0.471  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.974   2.374  -0.718  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.690   2.778  -0.390  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.904  -1.162   0.366  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -4.059  -2.082   0.979  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.792   1.861   0.165  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -2.733  -1.764   1.314  0.00  0.00    -0.039 A 
BRANCH  32  33
ATOM     33  C   LIG    1       -1.900  -2.809   2.039  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1       -1.343  -2.513   3.415  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -2.455  -3.502   3.266  0.00  0.00    +0.009 C 
ENDBRANCH  32  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6